| Name: | (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl acetate |
| CAS Number: | 29021-36-1 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 249-371-2 |
| FDA UNII: | Search |
| Nikkaji Web: | J286.501G |
| XlogP3-AA: | 3.10 (est) |
| Molecular Weight: | 196.28980000 |
| Formula: | C12 H20 O2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| Mixture of R,S-enantiomers, i.e. the (+)- and (-)- (cis)- and (trans)-isomers, mixture of all diastereoisomers (EFFA, 2010a). Range should be given. CASrn in Register does not specify stereoisomeric composition.
Mixture of R,S-enantiomers, i.e. the (+)- and (-)- (cis)- and (trans)-isomers, mixture of all diastereoisomers (EFFA, 2010a). Four diastereoisomers, 20 - 30 % each, with a higher likelyhood for the trans forms. (EFFA, 2012v). |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96900 to 0.97500 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 8.063 to 8.113
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| Refractive Index: | 1.47000 to 1.47600 @ 20.00 °C.
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| Boiling Point: | 232.00 to 233.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.058000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 194.00 °F. TCC ( 90.00 °C. )
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| logP (o/w): | 3.745 (est) |
| Soluble in: |
| | alcohol | | | water, 21.58 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
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Not determined
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.58 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
| |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 |
| Processed fruit (04.1): | 7.00000 | 35.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 10.00000 | 50.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 |
| Bakery wares (07.0): | 10.00000 | 50.00000 |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 12 (FGE.12); Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
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Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 - Flavouring Group Evaluation 12, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
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Flavouring Group Evaluation 73, (FGE.73)[1] - Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde and esters evaluated by EFSA in FGE.12 (2005) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 12, Revision 2 (FGE.12Rev2): Primary saturated or unsaturated alicyclic alcohol, aldehyde, acid, and esters from chemical group 7
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 12, Revision 3 (FGE.12Rev3): Primary saturated or unsaturated alicyclic alcohol, aldehyde, acid, and esters from chemical group 7
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 12, Revision 4 (FGE.12Rev4): primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters from chemical groups 1 and 7
View page or View pdf
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Scientific Opinion on Flavouring Group Evaluation 12, Revision 5 (FGE.12Rev5): Primary saturated or unsaturated alicyclic alcohol, aldehyde, acid, and esters from chemical groups 1, 7 and 8)
View page or View pdf
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| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :119852 |
| National Institute of Allergy and Infectious Diseases:Data |
| (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl acetate |
| Chemidplus:0029021361 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, acetate | | (6,6- | dimethyl bicyclo(3.1.1)hept-2-yl) methyl acetate | | (6,6- | dimethyl-2-bicyclo[3.1.1]heptanyl)methyl acetate | | (6,6- | dimethylbicyclo(3.1.1)hept-2-yl)methyl acetate | | (6,6- | dimethylbicyclo[3.1.1]hept-2-yl)methyl acetate |
Articles:
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